Year 2019, Volume 3 , Issue 1, Pages 21 - 28 2019-06-30

Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite

Azad Bayramov [1] , Arzuman Gasanov [2]


Developments of composite materials with organic and inorganic components discover the new possibilities in material science. At present, the numerous kinds of polymer materials with various physical mechanical and electro physical characteristics are used as organic matrix. Numerous piezoelectric materials with various properties are as inorganic phase of composites. Such combination of composite components properties allows to create both micro and nanoactive dielectrics. In this paper there have been presented the results of mathematical modeling of the molecular structure of polymer matrix hybrid micro- and nanocomposites materials having three phases: polyvinylidene fluoride (PVDF) molecule, micro particle of Pb(ZrTiO3) piezoelectric and nanoparticle of (SiO2)6 dielectric (PVDF + Pb(ZrTiO3) + (SiO2)6) by using of Parameterized Model number 3 (PM3) semi empirical method. Molecular orbitals energy, potential ionization, the total electronic energy of PVDF + Pb(ZrTiO3) + (SiO2)6 nanocomposite have been calculated. The theoretical models of (SiO2)n nanoparticle, Pb(ZrTiO3) microparticle and polymer matrix of PVDF 2(h-(-chf-chf-)10-h) + (SiO2)6 + PbZrTiO3 hybrid micro- and nanocomposite are constructed. The results of calculations show that PVDF + Pb(ZrTiO3) + (SiO2)6 nanocomposite is solid, electrophile, dielectrical and stable material. The wavelength of radiated photon is l228 nm. The elasticity of PVDF + Pb(ZrTiO3) + (SiO2)6 nanocomposite is more than twice the elasticity of PVDF polymer. They will find a wide application in radio engineering, electronics, optoelectronics and piezo technic, seismic and acoustic technics.

mathematical modeling, polymer, nanocomposite, quantum mechanical calculations, molecular orbital’s method, Semiempirical Method
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Primary Language en
Subjects Engineering
Published Date June 2019
Journal Section Research Article
Authors

Orcid: 0000-0001-6672-2338
Author: Azad Bayramov (Primary Author)
Institution: Armed Forces War College of the Azerbaijan
Country: Azerbaijan


Author: Arzuman Gasanov
Institution: Armed Forces War College of the Azerbaijan
Country: Azerbaijan


Dates

Publication Date : June 30, 2019

Bibtex @research article { asujse483503, journal = {Aksaray University Journal of Science and Engineering}, issn = {}, eissn = {2587-1277}, address = {Aksaray Üniversitesi, Fen Bilimleri Enstitüsü, Merkez Kampüs, 68100 Aksaray}, publisher = {Aksaray University}, year = {2019}, volume = {3}, pages = {21 - 28}, doi = {10.29002/asujse.483503}, title = {Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite}, key = {cite}, author = {Bayramov, Azad and Gasanov, Arzuman} }
APA Bayramov, A , Gasanov, A . (2019). Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite. Aksaray University Journal of Science and Engineering , 3 (1) , 21-28 . DOI: 10.29002/asujse.483503
MLA Bayramov, A , Gasanov, A . "Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite". Aksaray University Journal of Science and Engineering 3 (2019 ): 21-28 <http://asujse.aksaray.edu.tr/en/issue/41539/483503>
Chicago Bayramov, A , Gasanov, A . "Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite". Aksaray University Journal of Science and Engineering 3 (2019 ): 21-28
RIS TY - JOUR T1 - Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite AU - Azad Bayramov , Arzuman Gasanov Y1 - 2019 PY - 2019 N1 - doi: 10.29002/asujse.483503 DO - 10.29002/asujse.483503 T2 - Aksaray University Journal of Science and Engineering JF - Journal JO - JOR SP - 21 EP - 28 VL - 3 IS - 1 SN - -2587-1277 M3 - doi: 10.29002/asujse.483503 UR - https://doi.org/10.29002/asujse.483503 Y2 - 2019 ER -
EndNote %0 Aksaray University Journal of Science and Engineering Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite %A Azad Bayramov , Arzuman Gasanov %T Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite %D 2019 %J Aksaray University Journal of Science and Engineering %P -2587-1277 %V 3 %N 1 %R doi: 10.29002/asujse.483503 %U 10.29002/asujse.483503
ISNAD Bayramov, Azad , Gasanov, Arzuman . "Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite". Aksaray University Journal of Science and Engineering 3 / 1 (June 2019): 21-28 . https://doi.org/10.29002/asujse.483503
AMA Bayramov A , Gasanov A . Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite. Aksaray J. Sci. Eng.. 2019; 3(1): 21-28.
Vancouver Bayramov A , Gasanov A . Mathematical Modeling of the Electron Structure of Polymer Matrix PVDF+PB(ZRTiO3)+(SiO2)6 Hybrid Micro- and Nanocomposite. Aksaray University Journal of Science and Engineering. 2019; 3(1): 28-21.